2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine

C12H25N — CID 126698955

IUPAC2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine
SMILESCCC(CC)(CC1CC1)CN(C)C
InChIInChI=1S/C12H25N/c1-5-12(6-2,10-13(3)4)9-11-7-8-11/h11H,5-10H2,1-4H3
InChIKeyJJXJLZQGOVKMSY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds6

About 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine

2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine (PubChem CID 126698955) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine
PubChem CID126698955
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine
SMILESCCC(CC)(CC1CC1)CN(C)C
InChIInChI=1S/C12H25N/c1-5-12(6-2,10-13(3)4)9-11-7-8-11/h11H,5-10H2,1-4H3
InChIKeyJJXJLZQGOVKMSY-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine?
The IUPAC name of 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine (CID 126698955) is 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine is CCC(CC)(CC1CC1)CN(C)C.
What is the InChIKey of 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine?
The InChIKey is JJXJLZQGOVKMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-12(6-2,10-13(3)4)9-11-7-8-11/h11H,5-10H2,1-4H3.
What are the key properties of 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine?
2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2-ethyl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 126698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).